CID 46173196

2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C12H20
SMILES
CC1(CC2CC1C(C2=C)(C)C)C
InChI
InChI=1S/C12H20/c1-8-9-6-10(12(8,4)5)11(2,3)7-9/h9-10H,1,6-7H2,2-5H3
InChIKey
CJJCDFKNRQRNMW-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethyl-3-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

164.1565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.16378 137.4
[M+Na]+ 187.14572 147.2
[M-H]- 163.14922 141.1
[M+NH4]+ 182.19032 168.0
[M+K]+ 203.11966 143.8
[M+H-H2O]+ 147.15376 135.2
[M+HCOO]- 209.15470 157.9
[M+CH3COO]- 223.17035 182.5
[M+Na-2H]- 185.13117 140.8
[M]+ 164.15595 137.2
[M]- 164.15705 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe